ChemDB: Chemical Search
Download
Chemical ID: 4565322
Chemical ID:
4565322
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)c(=O)n(c(=O)[nH]3)c4ccccc4OC
InChi [?]:
InChI=1/C18H15N3O4/c1-24-10-7-8-12-11(9-10)15-16(19-12)17(22)21(18(23)20-15)13-5-3-4-6-14(13)25-2/h3-9,19H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,4,5,8,3,7,6,18,23,9,10,12,15,11,17,14,13,16,2,24/rA:25nCOCCCCCCCCNCONCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;d15;s9s15;s14;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81821 |
Area: | 513.368 |
Solvation: | -5.01599 |
Coulombic: | -65.3982 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|